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  1. Third-Parties
  2. MatprojStructure
  3. mp-624186

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-624186
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['La', 'B', 'C', 'Br']
  • Chemical System: B-Br-C-La
  • Density: 5.63201424719207
  • Atomic Density: 0.04447046675751576
  • Unit Cell Volume: 1034.3943599878169
  • Molar Volume: 13.541887906949446
  • Full Formula: La18 B6 C12 Br10
  • Reduced Formula: La9B3C6Br5
  • Formula Anonymous: A3B5C6D9
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -304.39808233
  • Final energy per atom: -6.617349615869566
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.